#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyi n ASP 21 N 0.00 6.03 0.04 6.12 8.00 -1.26 -3.51 116.55 131.98 2kyi n ASP 21 Ca 0.00 -2.82 0.11 0.00 0.71 0.00 0.00 54.79 52.80 2kyi n ASP 21 Cb 0.00 -1.10 0.07 0.00 -0.02 0.00 0.00 41.12 40.07 2kyi n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kyi n ASN 22 N 0.84 0.64 -4.67 -2.24 5.15 -1.26 -4.87 115.26 108.85 2kyi n ASN 22 Ca 0.20 -0.08 -0.43 0.00 -0.60 0.00 0.00 54.58 53.68 2kyi n ASN 22 Cb 0.56 0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 40.38 2kyi n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kyi s ARG 23 N -3.20 4.24 0.08 1.20 1.70 -1.23 -4.67 118.95 117.07 2kyi s ARG 23 Ca 0.04 1.86 -0.03 0.00 -0.47 0.00 0.00 55.73 57.13 2kyi s ARG 23 Cb 0.14 -3.78 -0.05 0.00 -0.57 0.00 0.00 34.95 30.70 2kyi s ARG 23 CO 0.78 -0.70 0.28 -0.65 -1.08 0.00 0.00 175.30 173.93 2kyi s GLN 24 N 3.35 3.53 -0.35 3.89 -0.21 -0.55 -4.82 119.66 124.50 2kyi s GLN 24 Ca 0.61 -0.24 -0.09 0.00 0.02 0.00 0.00 55.36 55.67 2kyi s GLN 24 Cb -0.27 -2.98 0.03 0.00 1.00 0.00 0.00 33.01 30.79 2kyi s GLN 24 CO 0.21 0.57 0.16 -0.06 -2.12 0.00 0.00 175.29 174.05 2kyi s PHE 25 N -1.52 3.23 -0.37 0.91 0.08 -1.26 -2.61 117.98 116.44 2kyi s PHE 25 Ca 0.35 -1.05 -0.16 0.00 0.12 0.00 0.00 56.93 56.19 2kyi s PHE 25 Cb -0.13 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 2kyi s PHE 25 CO 0.24 -0.64 0.41 -1.17 -0.10 0.00 0.00 175.22 173.96 2kyi s LEU 26 N 1.51 4.57 -0.27 -0.37 2.96 -0.22 -4.90 118.68 121.96 2kyi s LEU 26 Ca 0.01 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2kyi s LEU 26 Cb -0.19 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.14 2kyi s LEU 26 CO 0.05 -0.45 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.18 2kyi s SER 27 N 1.77 4.64 -0.02 3.68 0.01 -1.26 -1.34 113.70 121.19 2kyi s SER 27 Ca 0.13 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.43 2kyi s SER 27 Cb -0.17 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.35 2kyi s SER 27 CO 0.13 -0.18 -0.07 -0.22 0.41 0.00 0.00 173.24 173.30 2kyi s LEU 28 N 1.33 1.84 0.17 2.44 2.96 -0.81 -5.00 118.68 121.60 2kyi s LEU 28 Ca -0.01 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2kyi s LEU 28 Cb -0.18 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 2kyi s LEU 28 CO -0.02 0.06 0.29 0.42 -1.32 0.00 0.00 176.35 175.77 2kyi s THR 29 N 0.11 5.23 0.00 3.68 -4.23 -1.26 -1.87 115.64 117.29 2kyi s THR 29 Ca -0.01 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 2kyi s THR 29 Cb -0.06 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2kyi s THR 29 CO -0.00 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2kyi n GLY 30 N -0.72 0.50 3.63 3.99 0.00 0.18 -4.95 105.19 107.82 2kyi n GLY 30 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2kyi n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kyi s VAL 31 N -2.00 3.50 -0.17 1.61 1.01 -1.07 -1.70 120.40 121.58 2kyi s VAL 31 Ca 0.00 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 2kyi s VAL 31 Cb 0.00 -3.51 -0.22 0.00 0.00 0.00 0.00 36.38 32.65 2kyi s VAL 31 CO 0.00 -0.20 0.14 -1.20 0.00 0.00 0.00 175.10 173.83 2kyi n SER 32 N 8.71 1.98 -3.60 3.32 7.64 0.18 -4.06 113.62 127.79 2kyi n SER 32 Ca 0.20 0.08 -0.05 0.00 1.01 0.00 0.00 58.87 60.11 2kyi n SER 32 Cb 0.44 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 2kyi n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kyi s LYS 33 N -2.54 0.76 -0.13 1.43 2.20 -0.79 -5.00 119.74 115.66 2kyi s LYS 33 Ca -0.26 -0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 54.94 2kyi s LYS 33 Cb 0.08 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 2kyi s LYS 33 CO 0.71 -0.34 0.12 0.54 -0.36 0.00 0.00 175.35 176.02 2kyi s VAL 34 N -2.93 5.33 -0.19 4.02 0.11 -1.26 0.36 120.40 125.84 2kyi s VAL 34 Ca 0.09 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2kyi s VAL 34 Cb -0.00 -3.33 -0.21 0.00 -1.53 0.00 0.00 36.38 31.30 2kyi s VAL 34 CO -0.05 0.60 0.06 0.00 -3.33 0.00 0.00 175.10 172.38 2kyi n GLN 35 N 2.20 0.69 -3.66 1.54 6.02 0.41 -4.88 117.38 119.69 2kyi n GLN 35 Ca -0.19 0.17 -0.07 0.00 -0.01 0.00 0.00 57.00 56.89 2kyi n GLN 35 Cb 0.54 -1.60 -0.08 0.00 1.02 0.00 0.00 30.24 30.13 2kyi n GLN 35 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kyi s SER 36 N -6.46 -0.56 -0.40 1.08 0.15 -1.19 -4.98 113.70 101.33 2kyi s SER 36 Ca -0.25 1.15 -0.07 0.00 0.70 0.00 0.00 55.95 57.48 2kyi s SER 36 Cb 0.08 1.46 0.08 0.00 -1.71 0.00 0.00 66.02 65.93 2kyi s SER 36 CO 0.70 -0.22 0.22 0.12 1.20 0.00 0.00 173.24 175.26 2kyi s PHE 37 N 2.38 3.37 0.02 3.44 5.36 -1.26 -0.43 117.98 130.86 2kyi s PHE 37 Ca -0.05 -1.70 0.07 0.00 -0.96 0.00 0.00 56.93 54.30 2kyi s PHE 37 Cb -0.11 -2.91 -0.02 0.00 -0.34 0.00 0.00 43.02 39.64 2kyi s PHE 37 CO -0.15 -0.86 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.02 2kyi s ASP 38 N 1.98 2.64 0.10 6.13 1.11 -0.88 -5.01 116.67 122.74 2kyi s ASP 38 Ca 0.03 -0.48 0.13 0.00 0.18 0.00 0.00 52.55 52.41 2kyi s ASP 38 Cb -0.23 -0.25 0.58 0.00 1.07 0.00 0.00 42.92 44.09 2kyi s ASP 38 CO 0.01 0.22 1.39 -2.65 1.18 0.00 0.00 175.17 175.32 2kyi n PRO 39 N 2.13 0.06 -0.01 8.23 -0.02 -1.26 -1.51 135.00 142.63 2kyi n PRO 39 Ca -0.16 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 61.83 2kyi n PRO 39 Cb 0.53 -1.65 -0.13 0.00 -0.02 0.00 0.00 33.50 32.23 2kyi n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kyi n LYS 40 N -1.76 0.59 -3.45 -0.52 4.76 -1.26 -1.29 118.16 115.22 2kyi n LYS 40 Ca 0.01 -0.14 0.01 0.00 -2.87 0.00 0.00 58.31 55.32 2kyi n LYS 40 Cb 0.10 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 2kyi n LYS 40 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2kyi s GLU 41 N -3.14 0.33 -0.12 1.97 2.12 -0.57 -0.56 118.70 118.74 2kyi s GLU 41 Ca -0.05 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.08 2kyi s GLU 41 Cb 0.11 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.93 2kyi s GLU 41 CO 0.71 -0.11 -0.14 0.42 -0.54 0.00 0.00 175.26 175.59 2kyi s ILE 42 N 2.37 2.93 -0.53 -3.70 1.01 0.13 -2.08 121.20 121.33 2kyi s ILE 42 Ca -0.04 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 2kyi s ILE 42 Cb -0.06 -2.22 0.10 0.00 0.01 0.00 0.00 42.46 40.29 2kyi s ILE 42 CO -0.17 0.53 0.56 -0.76 0.00 0.00 0.00 174.94 175.10 2kyi s LEU 43 N 0.30 5.61 -0.25 2.97 1.43 0.43 -0.06 118.68 129.12 2kyi s LEU 43 Ca -0.11 -1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 51.44 2kyi s LEU 43 Cb -0.16 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 2kyi s LEU 43 CO 0.06 -0.89 0.22 -0.76 0.23 0.00 0.00 176.35 175.21 2kyi s LEU 44 N 2.12 4.09 -0.29 1.79 1.43 -0.24 -0.45 118.68 127.13 2kyi s LEU 44 Ca 0.08 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.11 2kyi s LEU 44 Cb -0.25 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 2kyi s LEU 44 CO 0.06 -0.01 0.73 -0.70 0.23 0.00 0.00 176.35 176.66 2kyi s GLU 45 N 1.37 4.00 0.00 1.70 2.12 0.16 0.36 118.70 128.41 2kyi s GLU 45 Ca 0.10 0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.99 2kyi s GLU 45 Cb -0.15 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.54 2kyi s GLU 45 CO 0.07 -0.59 0.00 0.25 -0.54 0.00 0.00 175.26 174.46 2kyi n THR 46 N 5.40 0.00 -1.55 -1.70 -2.24 0.13 0.49 114.28 114.81 2kyi n THR 46 Ca 0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 2kyi n THR 46 Cb 0.48 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.68 2kyi n THR 46 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2kyi n ILE 47 N -0.42 0.00 -3.77 2.28 5.41 -0.69 -2.47 119.36 119.69 2kyi n ILE 47 Ca 0.00 -0.48 -0.26 0.00 1.00 0.00 0.00 62.75 63.02 2kyi n ILE 47 Cb 0.00 -1.84 0.04 0.00 -0.71 0.00 0.00 39.64 37.13 2kyi n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kyi n GLN 48 N 8.52 -5.82 -3.91 0.38 6.02 -1.26 -4.97 117.38 116.34 2kyi n GLN 48 Ca 0.48 0.66 -0.09 0.00 -0.01 0.00 0.00 57.00 58.04 2kyi n GLN 48 Cb 0.41 -5.49 -0.02 0.00 1.02 0.00 0.00 30.24 26.17 2kyi n GLN 48 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2kyi s GLY 49 N -3.68 0.39 -0.13 1.08 0.00 -1.03 -4.94 107.32 99.00 2kyi s GLY 49 Ca 0.42 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 44.39 2kyi s GLY 49 CO 0.80 -0.40 0.01 0.14 0.00 0.00 0.00 173.10 173.65 2kyi s VAL 50 N -3.37 0.54 -0.36 1.40 1.01 -1.26 0.20 120.40 118.55 2kyi s VAL 50 Ca 0.17 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2kyi s VAL 50 Cb -0.04 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 2kyi s VAL 50 CO 0.10 0.06 0.29 -0.22 0.00 0.00 0.00 175.10 175.33 2kyi s LEU 51 N 1.88 4.69 -0.32 3.92 2.96 0.16 -4.54 118.68 127.43 2kyi s LEU 51 Ca 0.02 -0.54 -0.21 0.00 -0.22 0.00 0.00 54.13 53.19 2kyi s LEU 51 Cb -0.15 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.35 2kyi s LEU 51 CO -0.07 -0.33 0.64 -0.44 -1.32 0.00 0.00 176.35 174.83 2kyi s SER 52 N 1.72 6.49 -0.38 3.68 0.01 0.11 -1.08 113.70 124.24 2kyi s SER 52 Ca 0.07 0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.57 2kyi s SER 52 Cb -0.18 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.74 2kyi s SER 52 CO 0.11 -0.53 0.23 -0.63 0.41 0.00 0.00 173.24 172.83 2kyi s ILE 53 N 2.67 4.77 -0.08 1.44 -1.09 0.91 -0.52 121.20 129.31 2kyi s ILE 53 Ca 0.26 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 2kyi s ILE 53 Cb -0.15 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2kyi s ILE 53 CO 0.13 -0.23 -0.06 -0.75 -1.23 0.00 0.00 174.94 172.80 2kyi s LYS 54 N 1.59 2.87 0.00 2.79 2.20 0.65 0.19 119.74 130.03 2kyi s LYS 54 Ca 0.03 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2kyi s LYS 54 Cb -0.19 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 2kyi s LYS 54 CO 0.08 0.62 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 2kyi n GLY 55 N 2.36 -0.63 2.92 5.54 0.00 0.28 0.74 105.19 116.39 2kyi n GLY 55 Ca -0.18 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 2kyi n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kyi s GLU 56 N -1.35 0.26 -1.09 1.61 2.02 0.44 -4.34 118.70 116.25 2kyi s GLU 56 Ca 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 2kyi s GLU 56 Cb 0.00 -0.26 -0.02 0.00 0.10 0.00 0.00 34.13 33.95 2kyi s GLU 56 CO 0.00 0.06 0.92 1.17 0.02 0.00 0.00 175.26 177.43 2kyi n LYS 57 N 3.07 -5.10 -1.89 1.61 4.81 -0.41 -0.82 118.16 119.43 2kyi n LYS 57 Ca -0.13 0.81 -0.42 0.00 -0.87 0.00 0.00 58.31 57.70 2kyi n LYS 57 Cb 0.58 -5.65 -0.01 0.00 0.02 0.00 0.00 35.03 29.97 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kyi n LEU 58 N -3.72 5.83 -4.67 3.14 4.32 -1.05 -3.98 117.00 116.88 2kyi n LEU 58 Ca -0.22 -3.88 -0.43 0.00 -0.02 0.00 0.00 56.01 51.47 2kyi n LEU 58 Cb 0.65 -1.62 -0.02 0.00 -1.62 0.00 0.00 43.42 40.81 2kyi n LEU 58 CO 0.57 0.53 1.05 -0.83 -1.22 0.00 0.00 177.39 177.48 2kyi s GLY 59 N 3.86 1.80 0.09 -0.72 0.00 -0.28 -4.87 107.32 107.19 2kyi s GLY 59 Ca 0.51 0.53 0.16 0.00 0.00 0.00 0.00 44.72 45.92 2kyi s GLY 59 CO -0.01 2.41 0.91 0.16 0.00 0.00 0.00 173.10 176.58 2kyi h ILE 60 N 5.32 0.56 0.00 0.90 3.07 -1.85 -0.32 117.51 125.19 2kyi h ILE 60 Ca -0.29 -2.04 0.00 0.00 1.55 0.00 0.00 64.86 64.08 2kyi h ILE 60 Cb 1.13 2.09 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 2kyi h ILE 60 CO 0.94 0.32 0.00 1.17 -1.05 0.00 0.00 178.15 179.53 2kyi n LYS 61 N -2.94 0.00 -5.15 0.16 4.81 -1.26 -4.71 118.16 109.07 2kyi n LYS 61 Ca -0.08 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.06 2kyi n LYS 61 Cb 0.83 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.71 2kyi n LYS 61 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 2kyi s HIS 62 N 0.00 2.24 -0.16 5.64 -3.43 -1.26 -5.02 115.29 113.30 2kyi s HIS 62 Ca 0.00 -0.65 0.14 0.00 -0.80 0.00 0.00 55.06 53.75 2kyi s HIS 62 Cb 0.00 -1.47 0.39 0.00 -1.43 0.00 0.00 32.58 30.07 2kyi s HIS 62 CO 0.00 -0.20 1.20 1.47 -2.00 0.00 0.00 174.74 175.21 2kyi n LEU 63 N 2.98 2.30 -0.10 5.38 -0.00 -1.26 -4.69 117.00 121.61 2kyi n LEU 63 Ca -0.17 -3.39 0.15 0.00 -0.00 0.00 0.00 56.01 52.59 2kyi n LEU 63 Cb 0.52 -0.41 0.74 0.00 -0.00 0.00 0.00 43.42 44.27 2kyi n LEU 63 CO 0.25 1.13 0.98 -0.90 -0.00 0.00 0.00 177.39 178.85 2kyi n ASP 64 N -0.87 0.34 0.00 1.45 5.75 -1.26 -4.89 116.55 117.07 2kyi n ASP 64 Ca 0.16 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 2kyi n ASP 64 Cb 0.76 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 2kyi n ASP 64 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2kyi n LEU 65 N -0.90 0.00 0.00 -2.12 0.00 -1.26 -4.79 117.00 107.92 2kyi n LEU 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.19 2kyi n LEU 65 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.64 2kyi n LEU 65 CO 0.21 0.00 0.00 1.17 0.00 0.00 0.00 177.39 178.77 2kyi n LYS 66 N 0.00 0.00 -0.57 1.96 4.81 -1.26 -1.93 118.16 121.17 2kyi n LYS 66 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2kyi n LYS 66 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kyi n ALA 67 N 1.72 2.17 -0.27 3.14 0.00 -1.26 -4.97 120.51 121.03 2kyi n ALA 67 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kyi n ALA 67 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2kyi n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kyi n GLY 68 N 0.00 0.91 3.06 0.00 0.00 -0.81 -4.87 105.19 103.47 2kyi n GLY 68 Ca -0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2kyi n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kyi s GLN 69 N -0.39 0.30 -0.03 1.61 0.74 -1.20 0.48 119.66 121.17 2kyi s GLN 69 Ca 0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.33 2kyi s GLN 69 Cb 0.00 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.26 2kyi s GLN 69 CO 0.00 -0.06 0.08 0.54 -0.55 0.00 0.00 175.29 175.30 2kyi s VAL 70 N -0.55 -0.02 -0.28 1.34 0.11 -0.78 -4.67 120.40 115.56 2kyi s VAL 70 Ca -0.06 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2kyi s VAL 70 Cb -0.04 -0.12 0.07 0.00 -1.53 0.00 0.00 36.38 34.76 2kyi s VAL 70 CO 0.01 0.02 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.16 2kyi s GLU 71 N 0.36 1.66 0.00 1.54 8.01 -1.25 -1.93 118.70 127.10 2kyi s GLU 71 Ca -0.03 -1.32 0.02 0.00 0.01 0.00 0.00 54.97 53.65 2kyi s GLU 71 Cb -0.04 -2.77 -0.04 0.00 -4.31 0.00 0.00 34.13 26.97 2kyi s GLU 71 CO -0.01 -0.72 -0.03 0.14 0.01 0.00 0.00 175.26 174.65 2kyi s VAL 72 N 1.21 3.94 -0.16 2.63 -7.23 -0.45 -4.72 120.40 115.62 2kyi s VAL 72 Ca -0.01 -0.69 -0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2kyi s VAL 72 Cb -0.19 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 2kyi s VAL 72 CO -0.08 0.38 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.34 2kyi s GLU 73 N -1.52 3.28 -0.09 4.82 2.02 -0.13 -1.06 118.70 126.02 2kyi s GLU 73 Ca 0.19 -0.72 -0.33 0.00 0.02 0.00 0.00 54.97 54.13 2kyi s GLU 73 Cb -0.11 -2.68 0.14 0.00 0.10 0.00 0.00 34.13 31.58 2kyi s GLU 73 CO 0.09 0.03 1.43 0.20 0.02 0.00 0.00 175.26 177.03 2kyi s GLY 74 N 0.81 -0.48 -1.31 -1.39 0.00 -1.07 -1.13 107.32 102.75 2kyi s GLY 74 Ca -0.05 0.90 -0.15 0.00 0.00 0.00 0.00 44.72 45.41 2kyi s GLY 74 CO 0.00 0.71 1.77 1.04 0.00 0.00 0.00 173.10 176.63 2kyi n LEU 75 N -0.54 5.51 -4.77 0.66 4.77 0.00 -1.49 117.00 121.14 2kyi n LEU 75 Ca -0.09 -4.15 -0.38 0.00 -0.03 0.00 0.00 56.01 51.36 2kyi n LEU 75 Cb 0.63 -1.68 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 2kyi n LEU 75 CO 0.11 0.57 0.70 0.27 -1.33 0.00 0.00 177.39 177.72 2kyi s ILE 76 N 3.07 3.90 -0.00 -0.08 -4.36 -1.26 -0.42 121.20 122.05 2kyi s ILE 76 Ca 0.49 1.63 -0.06 0.00 -0.26 0.00 0.00 60.65 62.46 2kyi s ILE 76 Cb 0.05 -3.93 -0.02 0.00 1.25 0.00 0.00 42.46 39.80 2kyi s ILE 76 CO 0.02 0.18 -0.11 -0.67 0.24 0.00 0.00 174.94 174.61 2kyi n ASP 77 N 0.59 1.30 -4.25 4.36 2.03 0.23 -4.91 116.55 115.90 2kyi n ASP 77 Ca 0.02 0.19 -0.29 0.00 0.52 0.00 0.00 54.79 55.23 2kyi n ASP 77 Cb 0.49 -0.44 -0.16 0.00 -0.72 0.00 0.00 41.12 40.28 2kyi n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kyi s ALA 78 N -2.28 1.94 -0.24 -1.67 0.00 -0.76 -4.99 121.76 113.76 2kyi s ALA 78 Ca -0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2kyi s ALA 78 Cb 0.02 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.63 2kyi s ALA 78 CO 0.14 0.44 -0.08 -0.51 0.00 0.00 0.00 175.76 175.75 2kyi s LEU 79 N -0.39 3.14 -0.28 0.00 1.43 -1.26 -0.25 118.68 121.07 2kyi s LEU 79 Ca 0.05 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 2kyi s LEU 79 Cb -0.10 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.51 2kyi s LEU 79 CO 0.00 -0.13 0.00 -0.69 0.23 0.00 0.00 176.35 175.77 2kyi s VAL 80 N 1.29 3.24 -0.31 -1.59 1.01 0.32 -4.95 120.40 119.41 2kyi s VAL 80 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2kyi s VAL 80 Cb -0.17 -2.72 0.13 0.00 0.00 0.00 0.00 36.38 33.62 2kyi s VAL 80 CO -0.05 0.07 0.24 -0.47 0.00 0.00 0.00 175.10 174.88 2kyi s TYR 81 N 1.36 -0.05 -0.16 5.22 5.04 -1.26 0.06 117.35 127.56 2kyi s TYR 81 Ca -0.01 -0.65 -0.18 0.00 -2.44 0.00 0.00 57.07 53.80 2kyi s TYR 81 Cb -0.18 -0.66 -0.14 0.00 0.35 0.00 0.00 41.96 41.33 2kyi s TYR 81 CO -0.01 -0.89 0.24 -1.00 -1.34 0.00 0.00 175.55 172.55 2kyi h PRO 82 N 8.05 0.00 -4.88 4.97 0.14 -1.96 -3.51 132.00 134.81 2kyi h PRO 82 Ca -0.12 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.03 2kyi h PRO 82 Cb 1.04 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.17 2kyi h PRO 82 CO 0.35 0.63 -0.94 -0.11 0.14 0.00 0.00 178.00 178.08 2kyi n LEU 83 N -4.57 -7.21 -0.02 1.56 7.94 -1.26 -4.98 117.00 108.46 2kyi n LEU 83 Ca -0.16 1.36 -0.06 0.00 -1.11 0.00 0.00 56.01 56.03 2kyi n LEU 83 Cb 0.44 -3.09 -0.13 0.00 0.53 0.00 0.00 43.42 41.17 2kyi n LEU 83 CO 0.18 -2.94 -0.58 -0.62 -1.11 0.00 0.00 177.39 172.31 2kyi n GLU 84 N 0.71 0.64 -3.00 1.96 -0.58 -1.26 -4.82 120.64 114.28 2kyi n GLU 84 Ca -0.04 0.22 -0.38 0.00 -0.42 0.00 0.00 57.16 56.54 2kyi n GLU 84 Cb 0.06 -1.74 -0.06 0.00 -0.57 0.00 0.00 31.44 29.12 2kyi n GLU 84 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2kyi s HIS 85 N -2.68 3.79 -2.00 -0.32 -3.43 -1.26 -4.95 115.29 104.45 2kyi s HIS 85 Ca -0.05 1.56 0.14 0.00 -0.80 0.00 0.00 55.06 55.91 2kyi s HIS 85 Cb 0.08 -2.73 0.86 0.00 -1.43 0.00 0.00 32.58 29.36 2kyi s HIS 85 CO 0.82 0.42 1.43 0.72 -2.00 0.00 0.00 174.74 176.14 2kyi n HIS 86 N 1.18 0.00 0.00 0.38 8.25 -1.26 -4.84 115.22 118.92 2kyi n HIS 86 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2kyi n HIS 86 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2kyi n HIS 86 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kyi n HIS 87 N -0.77 0.00 -3.52 4.41 -0.00 -1.26 -4.80 115.22 109.28 2kyi n HIS 87 Ca 0.11 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.16 2kyi n HIS 87 Cb 0.05 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.88 2kyi n HIS 87 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kyi s HIS 88 N 0.00 -0.44 0.11 1.57 -3.43 -1.26 -5.11 115.29 106.73 2kyi s HIS 88 Ca 0.00 0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.60 2kyi s HIS 88 Cb 0.00 0.42 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 2kyi s HIS 88 CO 0.00 -0.74 0.00 1.58 -2.00 0.00 0.00 174.74 173.58 2kyi n HIS 89 N -0.01 -0.82 -1.26 0.38 -0.00 -1.26 -5.21 115.22 107.03 2kyi n HIS 89 Ca -0.17 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 2kyi n HIS 89 Cb 0.63 -1.17 0.00 0.00 -0.00 0.00 0.00 29.99 29.44 2kyi n HIS 89 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92